(3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide

C16H21FN2O2 — CID 58988014

IUPAC(3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@]1(C)CCCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-11(2)18-14(20)16(3)9-4-10-19(15(16)21)13-7-5-12(17)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyJUVSOEAYDWOZMD-INIZCTEOSA-N
MW292.35 g/mol
LogP2.48
Rot. Bonds3

About (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide

(3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide (PubChem CID 58988014) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
PubChem CID58988014
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name(3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
SMILESCC(C)NC(=O)[C@]1(C)CCCN(c2ccc(F)cc2)C1=O
InChIInChI=1S/C16H21FN2O2/c1-11(2)18-14(20)16(3)9-4-10-19(15(16)21)13-7-5-12(17)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,20)/t16-/m0/s1
InChIKeyJUVSOEAYDWOZMD-INIZCTEOSA-N
XLogP2.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide
CID 58988012
1-(4-fluorophenyl)-3,3-dimethylpiperidin-2-one
CID 146432816
[1-(4-fluorophenyl)-3-methyl-2-oxopyrrolidin-3-yl] acetate
CID 174592654
3-[2-[3-fluoro-4-[[3-[[(2R)-1-hydroxypropan-2-yl]amino]-1H-pyrazolo[3,4-b]pyridin-4-yl]oxy]phenyl]acetyl]-1-(4-fluorophenyl)-3-methylpiperidin-2-one
CID 159813991
4-(bicyclo[1.1.0]butane-1-carbonyl)-1-(4-fluorophenyl)-3,3-dimethylpiperazin-2-one
CID 166427384
2-(4-fluorophenyl)-8-propan-2-yloxy-2-azaspiro[4.5]decan-1-one
CID 134556753
2-[3-(4-fluorophenyl)pyrrolidin-1-yl]-N-propan-2-ylacetamide
CID 172892735
1-[(1S)-1-(4-fluorophenyl)ethyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]thiourea
CID 100646658
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylacetamide
CID 1439429
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
1-(2,4-difluorobenzoyl)-9-(4-methylphenyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162630087
1-(4-fluorophenyl)-3-propan-2-ylimidazolidin-2-one
CID 129202932

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide (CID 58988014) is (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide is CC(C)NC(=O)[C@]1(C)CCCN(c2ccc(F)cc2)C1=O.
What is the InChIKey of (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide?
The InChIKey is JUVSOEAYDWOZMD-INIZCTEOSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-11(2)18-14(20)16(3)9-4-10-19(15(16)21)13-7-5-12(17)6-8-13/h5-8,11H,4,9-10H2,1-3H3,(H,18,20)/t16-/m0/s1.
What are the key properties of (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide?
(3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide has a molecular weight of 292.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-fluorophenyl)-3-methyl-2-oxo-N-propan-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 58988014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).